SCHEMBL6464784

SCHEMBL6464784

CC(C)CC(NC(=O)O)C(=O)NC(CCc1ccccc1)C(=O)c1nc(C(=O)NCCc2ccccc2)co1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.48
MMP8 P22894 4/20 0.47
HIF1A Q16665 1/20 0.44
CTSL P07711 2/20 0.44
CTSB P07858 2/20 0.44
CTSS P25774 2/20 0.44
CTSK P43235 2/20 0.44
TBXA2R P21731 1/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MMP3 P08254 4/20 0.43
MMP9 P14780 1/20 0.43
MMP2 P08253 1/20 0.41
NFKB1 P19838 1/20 0.41
PSMB5 P28074 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6477967 0.95 MMP3 (0.44) ANPEPMMP8CTSLCTSBCTSS
SCHEMBL6064394 0.90 CA5A (0.53) CTSLCTSBCTSSCTSKMMP3
SCHEMBL6061873 0.90 CA5A (0.53) CTSLCTSBCTSSCTSKMMP3
SCHEMBL6464783 0.89 MMP9 (0.44) MMP8CTSLCTSBCTSSCTSK
SCHEMBL6466269 0.89 MMP9 (0.44) MMP8CTSLCTSBCTSSCTSK
SCHEMBL6466271 0.89 MMP9 (0.44) MMP8CTSLCTSBCTSSCTSK
SCHEMBL6063868 0.87 PSMB5 (0.44) ANPEPMMP8CTSLCTSBCTSS
SCHEMBL6063167 0.85 CTSL (0.51) CTSLCTSBCTSSCTSKMMP3
SCHEMBL6463220 0.83 CTSL (0.51) CTSLCTSBCTSSCTSKMMP3
SCHEMBL6464780 0.83 CTSB (0.42) CTSLCTSBCTSSCTSKMMP3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1516877-A1 Amine derivatives as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2005-03-23 EP disclosed